2-[methyl-[3-methyl-1-(3-methylphenyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]amino]-N-(4-propan-2-ylphenyl)acetamide

C24H27N5OS — CID 53195827

IUPAC2-[methyl-[3-methyl-1-(3-methylphenyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]amino]-N-(4-propan-2-ylphenyl)acetamide
SMILESCc1cccc(-n2nc(C)c3sc(N(C)CC(=O)Nc4ccc(C(C)C)cc4)nc32)c1
InChIInChI=1S/C24H27N5OS/c1-15(2)18-9-11-19(12-10-18)25-21(30)14-28(5)24-26-23-22(31-24)17(4)27-29(23)20-8-6-7-16(3)13-20/h6-13,15H,14H2,1-5H3,(H,25,30)
InChIKeyHZXRBDJHJLIXSK-UHFFFAOYSA-N
MW433.58 g/mol
LogP5.30
Rot. Bonds6

About 2-[methyl-[3-methyl-1-(3-methylphenyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]amino]-N-(4-propan-2-ylphenyl)acetamide

2-[methyl-[3-methyl-1-(3-methylphenyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]amino]-N-(4-propan-2-ylphenyl)acetamide (PubChem CID 53195827) has the molecular formula C24H27N5OS and a molecular weight of 433.58 g/mol. Its IUPAC name is 2-[methyl-[3-methyl-1-(3-methylphenyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]amino]-N-(4-propan-2-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[methyl-[3-methyl-1-(3-methylphenyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]amino]-N-(4-propan-2-ylphenyl)acetamide
PubChem CID53195827
Molecular FormulaC24H27N5OS
Molecular Weight433.58 g/mol
Exact Mass433.19
IUPAC Name2-[methyl-[3-methyl-1-(3-methylphenyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]amino]-N-(4-propan-2-ylphenyl)acetamide
SMILESCc1cccc(-n2nc(C)c3sc(N(C)CC(=O)Nc4ccc(C(C)C)cc4)nc32)c1
InChIInChI=1S/C24H27N5OS/c1-15(2)18-9-11-19(12-10-18)25-21(30)14-28(5)24-26-23-22(31-24)17(4)27-29(23)20-8-6-7-16(3)13-20/h6-13,15H,14H2,1-5H3,(H,25,30)
InChIKeyHZXRBDJHJLIXSK-UHFFFAOYSA-N
XLogP5.30
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.58
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[methyl-[3-methyl-1-(3-methylphenyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]amino]-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide
CID 95112890
N-[(1R)-1-(3,4-dimethylphenyl)ethyl]-2-[methyl-[3-methyl-1-(3-methylphenyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]amino]acetamide
CID 95112888
N-[(1S)-1-(3-methoxyphenyl)ethyl]-2-[methyl-[3-methyl-1-(3-methylphenyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]amino]acetamide
CID 95112891
2-[methyl-[3-methyl-1-(3-methylphenyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]amino]-N-(pyridin-2-ylmethyl)acetamide
CID 53204283
N-(1,3-benzodioxol-5-ylmethyl)-2-[methyl-[3-methyl-1-(3-methylphenyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]amino]acetamide
CID 53195813
2-[methyl-(3-methyl-1-phenylpyrazolo[5,4-d][1,3]thiazol-5-yl)amino]-N-(2-methylpropyl)acetamide
CID 53195788
N-[1-(4-methoxyphenyl)ethyl]-2-[[1-(4-methoxyphenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]-methylamino]acetamide
CID 53195673
2-[methyl-[3-methyl-1-(4-methylphenyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]amino]-N-[(2-methylphenyl)methyl]acetamide
CID 53195746
1-(3-methylphenyl)-5-phenyl-N-(4-propan-2-ylphenyl)-1,2,4-triazole-3-carboxamide
CID 42692774
2-[[1-(4-methoxyphenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]-methylamino]-N-(3-methylbutyl)acetamide
CID 53195652
2-[methyl-(3-methyl-1-phenylpyrazolo[5,4-d][1,3]thiazol-5-yl)amino]-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 53195787
2-[[1-(4-methoxyphenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]-methylamino]-N-[(4-methylphenyl)methyl]acetamide
CID 53195645

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[3-methyl-1-(3-methylphenyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]amino]-N-(4-propan-2-ylphenyl)acetamide?
The IUPAC name of 2-[methyl-[3-methyl-1-(3-methylphenyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]amino]-N-(4-propan-2-ylphenyl)acetamide (CID 53195827) is 2-[methyl-[3-methyl-1-(3-methylphenyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]amino]-N-(4-propan-2-ylphenyl)acetamide.
What is the SMILES notation for 2-[methyl-[3-methyl-1-(3-methylphenyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]amino]-N-(4-propan-2-ylphenyl)acetamide?
The canonical SMILES for 2-[methyl-[3-methyl-1-(3-methylphenyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]amino]-N-(4-propan-2-ylphenyl)acetamide is Cc1cccc(-n2nc(C)c3sc(N(C)CC(=O)Nc4ccc(C(C)C)cc4)nc32)c1.
What is the InChIKey of 2-[methyl-[3-methyl-1-(3-methylphenyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]amino]-N-(4-propan-2-ylphenyl)acetamide?
The InChIKey is HZXRBDJHJLIXSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5OS/c1-15(2)18-9-11-19(12-10-18)25-21(30)14-28(5)24-26-23-22(31-24)17(4)27-29(23)20-8-6-7-16(3)13-20/h6-13,15H,14H2,1-5H3,(H,25,30).
What are the key properties of 2-[methyl-[3-methyl-1-(3-methylphenyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]amino]-N-(4-propan-2-ylphenyl)acetamide?
2-[methyl-[3-methyl-1-(3-methylphenyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]amino]-N-(4-propan-2-ylphenyl)acetamide has a molecular weight of 433.58 g/mol, XLogP of 5.30, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[3-methyl-1-(3-methylphenyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]amino]-N-(4-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 53195827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).